CAS
61150-57-0 Purity
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61150-57-0 Purity
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4-(3-Bromophenyl)thiazole-2-carboxylic acid
CAS
808128-00-9
Catalog Number
ACM808128009
Category
Bromine Series
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What is the molecular formula of the compound?
The molecular formula of the compound is C10H6BrNO2S.
What are some synonyms for the compound?
Some synonyms for the compound are 808128-00-9, 4-(3-bromophenyl)thiazole-2-carboxylic acid, and 2-Thiazolecarboxylic acid, 4-(3-bromophenyl)-.
What is the molecular weight of the compound?
The molecular weight of the compound is 284.13 g/mol.
What is the IUPAC name of the compound?
The IUPAC name of the compound is 4-(3-bromophenyl)-1,3-thiazole-2-carboxylic acid.
What is the InChI of the compound?
The InChI of the compound is InChI=1S/C10H6BrNO2S/c11-7-3-1-2-6(4-7)8-5-15-9(12-8)10(13)14/h1-5H,(H,13,14).
What is the InChIKey of the compound?
The InChIKey of the compound is XNJWWOHVTKHZBG-UHFFFAOYSA-N.
What is the canonical SMILES of the compound?
The canonical SMILES of the compound is C1=CC(=CC(=C1)Br)C2=CSC(=N2)C(=O)O.
What is the CAS number of the compound?
The CAS number of the compound is 808128-00-9.
What is the XLogP3-AA value of the compound?
The XLogP3-AA value of the compound is 3.2.
Is the compound Canonicalized?
Yes, the compound is canonicalized.
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